1H-indole;2-(trifluoromethyl)aniline

C15H13F3N2 — CID 158161787

IUPAC1H-indole;2-(trifluoromethyl)aniline
SMILESNc1ccccc1C(F)(F)F.c1ccc2[nH]ccc2c1
InChIInChI=1S/C8H7N.C7H6F3N/c1-2-4-8-7(3-1)5-6-9-8;8-7(9,10)5-3-1-2-4-6(5)11/h1-6,9H;1-4H,11H2
InChIKeyFWIZIFMGBHPPNB-UHFFFAOYSA-N
MW278.28 g/mol
LogP4.46
Rot. Bonds

About 1H-indole;2-(trifluoromethyl)aniline

1H-indole;2-(trifluoromethyl)aniline (PubChem CID 158161787) has the molecular formula C15H13F3N2 and a molecular weight of 278.28 g/mol. Its IUPAC name is 1H-indole;2-(trifluoromethyl)aniline.

Molecular Properties

Compound Name1H-indole;2-(trifluoromethyl)aniline
PubChem CID158161787
Molecular FormulaC15H13F3N2
Molecular Weight278.28 g/mol
Exact Mass278.10
IUPAC Name1H-indole;2-(trifluoromethyl)aniline
SMILESNc1ccccc1C(F)(F)F.c1ccc2[nH]ccc2c1
InChIInChI=1S/C8H7N.C7H6F3N/c1-2-4-8-7(3-1)5-6-9-8;8-7(9,10)5-3-1-2-4-6(5)11/h1-6,9H;1-4H,11H2
InChIKeyFWIZIFMGBHPPNB-UHFFFAOYSA-N
XLogP4.46
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1H-indole;dihydrochloride
CID 18796541
cesium;1H-indole;hydroxide
CID 175329356
CID 174930358
CID 174930358
disodium;tris(1H-indole);sulfide
CID 67840647
1H-indole;oxozinc
CID 174920230
bis(1H-indole);methanol
CID 70305490
ethane;1H-indole;methane
CID 169425426
1H-indole;propan-2-amine
CID 172785583
formic acid;1H-indole
CID 146381063
acetaldehyde;1H-indole
CID 22501409
1H-indole;1,4,7-triazonane
CID 158488040
carbamic acid;1H-indole
CID 66672708

Frequently Asked Questions

What is the IUPAC name of 1H-indole;2-(trifluoromethyl)aniline?
The IUPAC name of 1H-indole;2-(trifluoromethyl)aniline (CID 158161787) is 1H-indole;2-(trifluoromethyl)aniline.
What is the SMILES notation for 1H-indole;2-(trifluoromethyl)aniline?
The canonical SMILES for 1H-indole;2-(trifluoromethyl)aniline is Nc1ccccc1C(F)(F)F.c1ccc2[nH]ccc2c1.
What is the InChIKey of 1H-indole;2-(trifluoromethyl)aniline?
The InChIKey is FWIZIFMGBHPPNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N.C7H6F3N/c1-2-4-8-7(3-1)5-6-9-8;8-7(9,10)5-3-1-2-4-6(5)11/h1-6,9H;1-4H,11H2.
What are the key properties of 1H-indole;2-(trifluoromethyl)aniline?
1H-indole;2-(trifluoromethyl)aniline has a molecular weight of 278.28 g/mol, XLogP of 4.46, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indole;2-(trifluoromethyl)aniline is sourced from PubChem (CID 158161787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).